6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline

C23H21ClN2 — CID 54757707

IUPAC6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCc1ccccc1
InChIInChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3
InChIKeyGUCMRSUQSKLWCK-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.04
Rot. Bonds4

About 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline

6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline (PubChem CID 54757707) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline.

Molecular Properties

Compound Name6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
PubChem CID54757707
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCc1ccccc1
InChIInChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3
InChIKeyGUCMRSUQSKLWCK-UHFFFAOYSA-N
XLogP6.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-[(2-chlorophenyl)methylidene]-1-ethyl-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline
CID 44391330
methyl [6-chloro-2-(3-chlorophenyl)-4-phenylquinazolin-3(4H)-yl]acetate
CID 3808079
2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
6-chloro-4-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756883
6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756886
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757709
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
CID 54757712
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
CID 54757807
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
1-[4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 54758096

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
The IUPAC name of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline (CID 54757707) is 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline.
What is the SMILES notation for 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
The canonical SMILES for 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCc1ccccc1.
What is the InChIKey of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
The InChIKey is GUCMRSUQSKLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3.
What are the key properties of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline has a molecular weight of 360.89 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline is sourced from PubChem (CID 54757707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).